SCHEMBL19972056

SCHEMBL19972056

CCCc1cc(S)c(N)c(CCC)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.34
GABRB2 P47870 4/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
AR P10275 1/20 0.33
DHFR P00374 3/20 0.32
ALOX5 P09917 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CA2 P00918 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6131303 0.87 GABRA1 (0.37) GABRA1GABRB2GABRA5GABRA3GABRA2
SCHEMBL31614612 0.82 DHFR (0.35) GABRA1GABRB2GABRA5GABRA3GABRA2
SCHEMBL14645233 0.81 GABRA1 (0.41) GABRA1GABRB2GABRA5GABRA3GABRA2
SCHEMBL10933384 0.78 HTT (0.42) GABRA1GABRB2GABRA5GABRA3GABRA2
SCHEMBL27876554 0.77 SKP2 (0.41) GABRA1GABRB2GABRA5GABRA3GABRA2
SCHEMBL11497456 0.76 HTT (0.47) GABRA1GABRB2GABRA5GABRA3GABRA2
SCHEMBL1100124 0.76 DHFR (0.41) DHFR
SCHEMBL19972023 0.74 HTT (0.41) ARDHFRMAPTALDH1A1CA2
SCHEMBL3804549 0.73 NOS2 (0.36) ARALDH1A1
SCHEMBL8729657 0.73 CNR1 (0.35) GABRA1GABRB2GABRA5GABRA3GABRA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US disclosed
CN-107531652-A Aromatic diamine, intermediate thereof, and processes for producing these 精化株式会社 2018-01-02 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 GABRA1 409/4885GABRB2 640/4885GABRA5 925/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.